N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline

C15H21N5 — CID 62659052

IUPACN-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline
SMILESCN1CCC(CNc2ccc(-n3nccn3)cc2)CC1
InChIInChI=1S/C15H21N5/c1-19-10-6-13(7-11-19)12-16-14-2-4-15(5-3-14)20-17-8-9-18-20/h2-5,8-9,13,16H,6-7,10-12H2,1H3
InChIKeyYIXLFZVDSGVMOA-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.02
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline

N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline (PubChem CID 62659052) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline
PubChem CID62659052
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline
SMILESCN1CCC(CNc2ccc(-n3nccn3)cc2)CC1
InChIInChI=1S/C15H21N5/c1-19-10-6-13(7-11-19)12-16-14-2-4-15(5-3-14)20-17-8-9-18-20/h2-5,8-9,13,16H,6-7,10-12H2,1H3
InChIKeyYIXLFZVDSGVMOA-UHFFFAOYSA-N
XLogP2.02
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline (CID 62659052) is N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline is CN1CCC(CNc2ccc(-n3nccn3)cc2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline?
The InChIKey is YIXLFZVDSGVMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19-10-6-13(7-11-19)12-16-14-2-4-15(5-3-14)20-17-8-9-18-20/h2-5,8-9,13,16H,6-7,10-12H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline?
N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline has a molecular weight of 271.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline is sourced from PubChem (CID 62659052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).